Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM58971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58971 |
| SMILES |
COCC(C)(O)CCC=O
|
| InChIKey |
YIXCQASBGCOQRW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58948
Similarity: 0.6694
Similarity to MM58948
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.802 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307963
Similarity: 0.6583
Similarity to MM307963
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7957 |
| Dice metric | 0.794 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58972
Similarity: 0.6183
Similarity to MM58972
| Tanimoto metric | 0.6183 |
|---|---|
| Cosine metric | 0.7642 |
| Dice metric | 0.7642 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
